4-(5-bromo-1H-indol-3-yl)-2-butanone

Base Information

Chemical Name:4-(5-bromo-1H-indol-3-yl)-2-butanone
CAS No.:552314-85-9
Molecular Formula:C12H12BrNO
Molecular Weight:266.13400
Hs Code.:2933990090
DSSTox Substance ID:DTXSID20455917
Nikkaji Number:J1.913.614K
Wikidata:Q82278083
Mol file:552314-85-9.mol

Synonyms:4-(5-bromo-1H-indol-3-yl)butan-2-one;552314-85-9;4-(5-bromo-1H-indol-3-yl)-2-butanone;DTXSID20455917;MFCD09972220;3-(3-Oxobutyl)-5-bromo-1H-indole;AKOS005071533;AC-0815;CS-0366398

Suppliers and Price of 4-(5-bromo-1H-indol-3-yl)-2-butanone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Matrix Scientific
4-(5-Bromo-1H-indol-3-yl)-2-butanone >95%
1g
$ 304.00

Matrix Scientific
4-(5-Bromo-1H-indol-3-yl)-2-butanone >95%
500mg
$ 244.00

Crysdot
4-(5-Bromo-1H-indol-3-yl)butan-2-one 95+%
5g
$ 564.00

Chemenu
4-(5-Bromo-1H-indol-3-yl)butan-2-one 95%
5g
$ 533.00

Total 3 raw suppliers

Chemical Property of 4-(5-bromo-1H-indol-3-yl)-2-butanone

Chemical Property:

Melting Point:84-86°
PSA：32.86000
LogP:3.45200
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:265.01023
Heavy Atom Count:15
Complexity:244

Purity/Quality:

98%min ^*data from raw suppliers

4-(5-Bromo-1H-indol-3-yl)-2-butanone >95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CCC1=CNC2=C1C=C(C=C2)Br

Technology Process of 4-(5-bromo-1H-indol-3-yl)-2-butanone

There total 3 articles about 4-(5-bromo-1H-indol-3-yl)-2-butanone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

: 10075-50-0
5-bromo-1H-indole

: 78-94-4,25038-87-3
methyl vinyl ketone

: 552314-85-9
4-(5-bromo-1H-3-indolyl)-2-butanone

Guidance literature:: With aluminum (III) chloride; In acetonitrile; at 20 ℃; for 0.116667h;
DOI:10.1016/j.tetlet.2009.10.127

Reference yield: 82.0%

: 10075-50-0
5-bromo-1H-indole

: 598-32-3
2-hydroxy-3-butene

: 552314-85-9
4-(5-bromo-1H-3-indolyl)-2-butanone

Guidance literature:: With tris(triphenylphosphine)ruthenium(II) chloride; lithium acetate dihydrate; silver(I) acetate; copper(II) acetate monohydrate; In 1,2-dichloro-ethane; at 130 ℃; for 48h; Inert atmosphere;
DOI:10.1002/chem.201706080

Reference yield:

: 22190-33-6
5-bromoindoline

: 552314-85-9
4-(5-bromo-1H-3-indolyl)-2-butanone

Guidance literature:: Multi-step reaction with 2 steps

1: 6C₄₄H₃₂N₆O₄Ru⁽²⁺⁾*12Hf⁽²⁺⁾*8O^(2-)*14HO^(1-)*6C₁₆H₂₂ClCoN₅O₆^(1-) / acetonitrile; 2,2,2-trifluoroethanol / 12 h / 20 °C / Inert atmosphere; Irradiation

2: 2,2,2-trifluoroethanol / 24 h / 20 °C / Inert atmosphere; Glovebox

With 6C₄₄H₃₂N₆O₄Ru⁽²⁺⁾*12Hf⁽²⁺⁾*8O^(2-)*14HO^(1-)*6C₁₆H₂₂ClCoN₅O₆^(1-); In 2,2,2-trifluoroethanol; acetonitrile;
DOI:10.1002/anie.202011519